Ethyl 3-Bromopyrazole-4-carboxylate - CAS 1353100-91-0
Catalog: |
BB008135 |
Product Name: |
Ethyl 3-Bromopyrazole-4-carboxylate |
CAS: |
1353100-91-0 |
Synonyms: |
5-bromo-1H-pyrazole-4-carboxylic acid ethyl ester; ethyl 5-bromo-1H-pyrazole-4-carboxylate |
IUPAC Name: | ethyl 5-bromo-1H-pyrazole-4-carboxylate |
Description: | Ethyl 3-Bromo-1H-pyrazole-4-carboxylate can be used as plasma kallikrein inhibitors. |
Molecular Weight: | 219.04 |
Molecular Formula: | C6H7BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=C(NN=C1)Br |
InChI: | InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9) |
InChI Key: | HMONTLMXUZERMC-UHFFFAOYSA-N |
Appearance: | Light yellow powder |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.34890 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021128532-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
WO-2021084280-A1 | Pharmaceutical compounds | 20191101 |
WO-2021086874-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
WO-2021079121-A1 | Benzodiazepine derivatives for treating a respiratory syncytial virus (rsv) infection | 20191022 |
KR-102274077-B1 | Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same | 20190329 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.96909 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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